3-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C19H17N4O4S- MolecularWeight: 397.42768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18N4O4S/c1-23-17(12-6-8-15(27-2)9-7-12)21-22-19(23)28-11-16(24)20-14-5-3-4-13(10-14)18(25)26/h3-10H,11H2,1-2H3,(H,20,24)(H,25,26)/p-1